(2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-oxidanylidene-1-thiophen-2-ylsulfanyl-ethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanamide

Systemtic Name: (2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-oxidanylidene-1-thiophen-2-ylsulfanyl-ethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: (2S)-N-[2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-2-oxo-1-(2-thienylsulfanyl)ethyl]-2-(morpholinosulfonylamino)-3-phenyl-propanamide CAS Name: (2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-oxo-1-(thiophen-2-ylthio)ethyl]-2-(4-morpholinylsulfonylamino)-3-phenylpropanamide IUPAC Name: (2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-oxo-1-thiophen-2-ylsulfanylethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide Traditional Name: (2S)-N-[2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-2-keto-1-(2-thienylthio)ethyl]-2-(morpholinosulfonylamino)-3-phenyl-propionamide Formula: C33H50N4O7S3 MolecularWeight: 710.9677

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)SC4=CC=CS4)O)O

Isomeric SMILES

CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)SC4=CC=CS4)O)O

InChI

InChI=1S/C33H50N4O7S3/c1-23(2)20-28(38)30(39)26(21-24-10-5-3-6-11-24)34-32(41)33(46-29-14-9-19-45-29)35-31(40)27(22-25-12-7-4-8-13-25)36-47(42,43)37-15-17-44-18-16-37/h4,7-9,12-14,19,23-24,26-28,30,33,36,38-39H,3,5-6,10-11,15-18,20-22H2,1-2H3,(H,34,41)(H,35,40)/t26-,27-,28-,30+,33?/m0/s1